N-[(3-methoxyphenyl)methyl]-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-[(3-methoxyphenyl)methyl]-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0249 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | COc1cccc(CNC(CSc2nnc3N(CCc4ccccc4)C(c4ccccc4n23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7726 |
| logD: | 3.7726 |
| logSw: | -4.0232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.306 |
| InChI Key: | QDSRQCZIPFUODA-UHFFFAOYSA-N |